4-chloro-2-(3-chloro-4-methylphenyl)-6-fluoroquinazoline

C15H9Cl2FN2 — CID 63498026

IUPAC4-chloro-2-(3-chloro-4-methylphenyl)-6-fluoroquinazoline
SMILESCc1ccc(-c2nc(Cl)c3cc(F)ccc3n2)cc1Cl
InChIInChI=1S/C15H9Cl2FN2/c1-8-2-3-9(6-12(8)16)15-19-13-5-4-10(18)7-11(13)14(17)20-15/h2-7H,1H3
InChIKeyAFWZTFCUKGSRLU-UHFFFAOYSA-N
MW307.16 g/mol
LogP5.05
Rot. Bonds1

About 4-chloro-2-(3-chloro-4-methylphenyl)-6-fluoroquinazoline

4-chloro-2-(3-chloro-4-methylphenyl)-6-fluoroquinazoline (PubChem CID 63498026) has the molecular formula C15H9Cl2FN2 and a molecular weight of 307.16 g/mol. Its IUPAC name is 4-chloro-2-(3-chloro-4-methylphenyl)-6-fluoroquinazoline.

Molecular Properties

Compound Name4-chloro-2-(3-chloro-4-methylphenyl)-6-fluoroquinazoline
PubChem CID63498026
Molecular FormulaC15H9Cl2FN2
Molecular Weight307.16 g/mol
Exact Mass306.01
IUPAC Name4-chloro-2-(3-chloro-4-methylphenyl)-6-fluoroquinazoline
SMILESCc1ccc(-c2nc(Cl)c3cc(F)ccc3n2)cc1Cl
InChIInChI=1S/C15H9Cl2FN2/c1-8-2-3-9(6-12(8)16)15-19-13-5-4-10(18)7-11(13)14(17)20-15/h2-7H,1H3
InChIKeyAFWZTFCUKGSRLU-UHFFFAOYSA-N
XLogP5.05
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.16
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-chloro-4-methylphenyl)-6-fluoroquinazoline?
The IUPAC name of 4-chloro-2-(3-chloro-4-methylphenyl)-6-fluoroquinazoline (CID 63498026) is 4-chloro-2-(3-chloro-4-methylphenyl)-6-fluoroquinazoline.
What is the SMILES notation for 4-chloro-2-(3-chloro-4-methylphenyl)-6-fluoroquinazoline?
The canonical SMILES for 4-chloro-2-(3-chloro-4-methylphenyl)-6-fluoroquinazoline is Cc1ccc(-c2nc(Cl)c3cc(F)ccc3n2)cc1Cl.
What is the InChIKey of 4-chloro-2-(3-chloro-4-methylphenyl)-6-fluoroquinazoline?
The InChIKey is AFWZTFCUKGSRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2FN2/c1-8-2-3-9(6-12(8)16)15-19-13-5-4-10(18)7-11(13)14(17)20-15/h2-7H,1H3.
What are the key properties of 4-chloro-2-(3-chloro-4-methylphenyl)-6-fluoroquinazoline?
4-chloro-2-(3-chloro-4-methylphenyl)-6-fluoroquinazoline has a molecular weight of 307.16 g/mol, XLogP of 5.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-chloro-4-methylphenyl)-6-fluoroquinazoline is sourced from PubChem (CID 63498026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).